4-iodo-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C9H14IN5 — CID 25130237

IUPAC4-iodo-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(I)nc(N)n2)CC1
InChIInChI=1S/C9H14IN5/c1-14-2-4-15(5-3-14)8-6-7(10)12-9(11)13-8/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKeyZACGHOSDLJKGHU-UHFFFAOYSA-N
MW319.15 g/mol
LogP0.42
Rot. Bonds1

About 4-iodo-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-iodo-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 25130237) has the molecular formula C9H14IN5 and a molecular weight of 319.15 g/mol. Its IUPAC name is 4-iodo-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-iodo-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID25130237
Molecular FormulaC9H14IN5
Molecular Weight319.15 g/mol
Exact Mass319.03
IUPAC Name4-iodo-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(I)nc(N)n2)CC1
InChIInChI=1S/C9H14IN5/c1-14-2-4-15(5-3-14)8-6-7(10)12-9(11)13-8/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKeyZACGHOSDLJKGHU-UHFFFAOYSA-N
XLogP0.42
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 17773877
2,4-Diamino-6-piperidinopyrimidine
CID 606255
6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
n4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 24797598
4-(4-Methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-ylamine
CID 24798595
4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine
CID 25128833
4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129180
4-(4-Methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-ylamine
CID 25130912
N2-isobutyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 53233801
N2-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 53233802
n4-Isopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 54585780

Frequently Asked Questions

What is the IUPAC name of 4-iodo-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-iodo-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 25130237) is 4-iodo-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-iodo-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-iodo-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2cc(I)nc(N)n2)CC1.
What is the InChIKey of 4-iodo-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is ZACGHOSDLJKGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN5/c1-14-2-4-15(5-3-14)8-6-7(10)12-9(11)13-8/h6H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 4-iodo-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-iodo-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 319.15 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 25130237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).